2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide

C13H17N3OS — CID 14762284

IUPAC2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide
SMILESCCNC(C)C(=O)Nc1nsc2ccc(C)cc12
InChIInChI=1S/C13H17N3OS/c1-4-14-9(3)13(17)15-12-10-7-8(2)5-6-11(10)18-16-12/h5-7,9,14H,4H2,1-3H3,(H,15,16,17)
InChIKeyXEHPLODDQMQUTF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.54
Rot. Bonds4

About 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide

2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide (PubChem CID 14762284) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide
PubChem CID14762284
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide
SMILESCCNC(C)C(=O)Nc1nsc2ccc(C)cc12
InChIInChI=1S/C13H17N3OS/c1-4-14-9(3)13(17)15-12-10-7-8(2)5-6-11(10)18-16-12/h5-7,9,14H,4H2,1-3H3,(H,15,16,17)
InChIKeyXEHPLODDQMQUTF-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
ethyl 2-cyano-2-(5-methyl-1,2-benzothiazol-3-yl)acetate;methane;2-(5-methyl-1,2-benzothiazol-3-yl)acetonitrile;hydrate
CID 160757772
3,5-dimethyl-1,2-benzothiazole
CID 14145205
N,5-dimethyl-N-propyl-1,2-benzothiazole-3-carboxamide
CID 53015451
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
N-(5-methyl-2,1-benzothiazol-3-yl)propanamide
CID 13497335
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
3-amino-N-(1-ethylpyrazol-4-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932194
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylpropanamide
CID 115556585
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide?
The IUPAC name of 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide (CID 14762284) is 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide.
What is the SMILES notation for 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide?
The canonical SMILES for 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide is CCNC(C)C(=O)Nc1nsc2ccc(C)cc12.
What is the InChIKey of 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide?
The InChIKey is XEHPLODDQMQUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-14-9(3)13(17)15-12-10-7-8(2)5-6-11(10)18-16-12/h5-7,9,14H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide?
2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide has a molecular weight of 263.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(5-methyl-1,2-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 14762284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).